USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -47:sc= 1.97 USER MOD Set 1.2: A 48 THR OG1 : rot -22:sc= 0.0643 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.226 (180deg=-0.801) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -159:sc= -0.0191 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 40 TYR OH : rot 29:sc= -0.165 USER MOD Single : A 46 MET CE :methyl 174:sc= -1.99 (180deg=-2.08) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -168:sc= 1.01 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -169:sc= -0.183 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.75 F(o=-1.4,f=-0.75) USER MOD Single : A 87 SXD O33 : rot 27:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.211 5.146 -1.217 1.00 3.46 N ATOM 2 CA MET A 1 -18.744 6.503 -1.035 1.00 2.87 C ATOM 3 C MET A 1 -17.728 6.542 0.105 1.00 2.37 C ATOM 4 O MET A 1 -18.095 6.642 1.290 1.00 2.84 O ATOM 5 CB MET A 1 -19.937 7.424 -0.760 1.00 3.22 C ATOM 6 CG MET A 1 -19.598 8.891 -0.586 1.00 3.84 C ATOM 7 SD MET A 1 -21.074 9.905 -0.329 1.00 4.72 S ATOM 8 CE MET A 1 -21.747 9.162 1.162 1.00 5.39 C ATOM 0 H1 MET A 1 -19.903 5.118 -1.993 1.00 3.46 H new ATOM 0 H2 MET A 1 -18.406 4.530 -1.449 1.00 3.46 H new ATOM 0 H3 MET A 1 -19.661 4.813 -0.340 1.00 3.46 H new ATOM 0 HA MET A 1 -18.250 6.855 -1.940 1.00 2.87 H new ATOM 0 HB2 MET A 1 -20.646 7.327 -1.582 1.00 3.22 H new ATOM 0 HB3 MET A 1 -20.443 7.076 0.140 1.00 3.22 H new ATOM 0 HG2 MET A 1 -18.925 9.009 0.264 1.00 3.84 H new ATOM 0 HG3 MET A 1 -19.064 9.246 -1.467 1.00 3.84 H new ATOM 0 HE1 MET A 1 -22.207 9.935 1.778 1.00 5.39 H new ATOM 0 HE2 MET A 1 -22.497 8.419 0.892 1.00 5.39 H new ATOM 0 HE3 MET A 1 -20.946 8.681 1.722 1.00 5.39 H new ATOM 20 N ALA A 2 -16.462 6.417 -0.240 1.00 2.00 N ATOM 21 CA ALA A 2 -15.390 6.383 0.737 1.00 1.85 C ATOM 22 C ALA A 2 -14.247 7.234 0.262 1.00 1.39 C ATOM 23 O ALA A 2 -14.097 7.460 -0.946 1.00 1.40 O ATOM 24 CB ALA A 2 -14.909 4.955 0.962 1.00 2.44 C ATOM 0 H ALA A 2 -16.146 6.336 -1.207 1.00 2.00 H new ATOM 0 HA ALA A 2 -15.769 6.773 1.682 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -14.105 4.954 1.698 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -15.736 4.346 1.327 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -14.541 4.543 0.022 1.00 2.44 H new ATOM 30 N THR A 3 -13.445 7.682 1.188 1.00 1.35 N ATOM 31 CA THR A 3 -12.329 8.541 0.901 1.00 1.15 C ATOM 32 C THR A 3 -11.234 7.750 0.202 1.00 1.02 C ATOM 33 O THR A 3 -10.581 6.908 0.816 1.00 1.25 O ATOM 34 CB THR A 3 -11.758 9.078 2.215 1.00 1.52 C ATOM 35 OG1 THR A 3 -12.825 9.582 3.046 1.00 2.18 O ATOM 36 CG2 THR A 3 -10.752 10.193 1.947 1.00 1.91 C ATOM 0 H THR A 3 -13.550 7.458 2.177 1.00 1.35 H new ATOM 0 HA THR A 3 -12.666 9.358 0.263 1.00 1.15 H new ATOM 0 HB THR A 3 -11.251 8.261 2.729 1.00 1.52 H new ATOM 0 HG1 THR A 3 -12.452 9.922 3.886 1.00 2.18 H new ATOM 0 HG21 THR A 3 -10.357 10.562 2.894 1.00 1.91 H new ATOM 0 HG22 THR A 3 -9.934 9.807 1.339 1.00 1.91 H new ATOM 0 HG23 THR A 3 -11.245 11.008 1.417 1.00 1.91 H new ATOM 44 N LEU A 4 -11.073 7.984 -1.075 1.00 0.80 N ATOM 45 CA LEU A 4 -10.036 7.334 -1.829 1.00 0.74 C ATOM 46 C LEU A 4 -8.710 7.911 -1.410 1.00 0.68 C ATOM 47 O LEU A 4 -8.413 9.088 -1.688 1.00 0.89 O ATOM 48 CB LEU A 4 -10.227 7.524 -3.324 1.00 0.74 C ATOM 49 CG LEU A 4 -11.548 7.038 -3.917 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.566 7.297 -5.406 1.00 1.00 C ATOM 51 CD2 LEU A 4 -11.770 5.561 -3.630 1.00 1.10 C ATOM 0 H LEU A 4 -11.653 8.625 -1.617 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.073 6.264 -1.627 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.125 8.586 -3.547 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.415 7.011 -3.838 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.361 7.592 -3.448 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.510 6.949 -5.825 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.460 8.366 -5.591 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.741 6.763 -5.878 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -12.718 5.244 -4.065 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -10.958 4.979 -4.067 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -11.793 5.399 -2.552 1.00 1.10 H new ATOM 63 N LEU A 5 -7.945 7.120 -0.714 1.00 0.59 N ATOM 64 CA LEU A 5 -6.672 7.547 -0.201 1.00 0.61 C ATOM 65 C LEU A 5 -5.717 7.864 -1.332 1.00 0.53 C ATOM 66 O LEU A 5 -5.677 7.158 -2.351 1.00 0.53 O ATOM 67 CB LEU A 5 -6.069 6.528 0.783 1.00 0.76 C ATOM 68 CG LEU A 5 -5.432 5.244 0.238 1.00 0.75 C ATOM 69 CD1 LEU A 5 -4.739 4.497 1.356 1.00 1.16 C ATOM 70 CD2 LEU A 5 -6.470 4.359 -0.359 1.00 1.48 C ATOM 0 H LEU A 5 -8.186 6.156 -0.484 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.839 8.462 0.367 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -5.310 7.047 1.368 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.858 6.234 1.475 1.00 0.76 H new ATOM 0 HG LEU A 5 -4.709 5.521 -0.529 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -4.289 3.586 0.961 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -3.962 5.128 1.788 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -5.466 4.238 2.126 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -6.000 3.453 -0.741 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -7.204 4.094 0.402 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -6.967 4.881 -1.176 1.00 1.48 H new ATOM 82 N THR A 6 -5.022 8.941 -1.172 1.00 0.60 N ATOM 83 CA THR A 6 -4.096 9.425 -2.134 1.00 0.62 C ATOM 84 C THR A 6 -2.678 8.906 -1.866 1.00 0.56 C ATOM 85 O THR A 6 -2.465 8.053 -0.982 1.00 0.55 O ATOM 86 CB THR A 6 -4.112 10.952 -2.083 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.062 11.343 -0.697 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.379 11.500 -2.712 1.00 0.93 C ATOM 0 H THR A 6 -5.087 9.526 -0.339 1.00 0.60 H new ATOM 0 HA THR A 6 -4.388 9.068 -3.121 1.00 0.62 H new ATOM 0 HB THR A 6 -3.260 11.347 -2.637 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.399 12.259 -0.603 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.368 12.589 -2.664 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.435 11.183 -3.754 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.247 11.122 -2.171 1.00 0.93 H new ATOM 96 N THR A 7 -1.718 9.452 -2.593 1.00 0.59 N ATOM 97 CA THR A 7 -0.322 9.131 -2.449 1.00 0.58 C ATOM 98 C THR A 7 0.156 9.507 -1.034 1.00 0.47 C ATOM 99 O THR A 7 0.853 8.734 -0.376 1.00 0.45 O ATOM 100 CB THR A 7 0.455 9.932 -3.506 1.00 0.70 C ATOM 101 OG1 THR A 7 -0.107 9.656 -4.806 1.00 1.31 O ATOM 102 CG2 THR A 7 1.923 9.564 -3.507 1.00 1.10 C ATOM 0 H THR A 7 -1.900 10.148 -3.316 1.00 0.59 H new ATOM 0 HA THR A 7 -0.156 8.063 -2.591 1.00 0.58 H new ATOM 0 HB THR A 7 0.372 10.993 -3.269 1.00 0.70 H new ATOM 0 HG1 THR A 7 0.381 10.164 -5.488 1.00 1.31 H new ATOM 0 HG21 THR A 7 2.444 10.148 -4.266 1.00 1.10 H new ATOM 0 HG22 THR A 7 2.352 9.776 -2.528 1.00 1.10 H new ATOM 0 HG23 THR A 7 2.032 8.502 -3.728 1.00 1.10 H new ATOM 110 N ASP A 8 -0.242 10.689 -0.584 1.00 0.52 N ATOM 111 CA ASP A 8 0.096 11.198 0.740 1.00 0.54 C ATOM 112 C ASP A 8 -0.400 10.284 1.844 1.00 0.48 C ATOM 113 O ASP A 8 0.303 10.087 2.834 1.00 0.52 O ATOM 114 CB ASP A 8 -0.389 12.663 0.969 1.00 0.71 C ATOM 115 CG ASP A 8 -1.891 12.898 0.791 1.00 1.19 C ATOM 116 OD1 ASP A 8 -2.674 12.560 1.720 1.00 1.67 O ATOM 117 OD2 ASP A 8 -2.327 13.375 -0.257 1.00 1.79 O ATOM 0 H ASP A 8 -0.815 11.329 -1.133 1.00 0.52 H new ATOM 0 HA ASP A 8 1.185 11.214 0.782 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -0.109 12.966 1.978 1.00 0.71 H new ATOM 0 HB3 ASP A 8 0.147 13.316 0.280 1.00 0.71 H new ATOM 122 N ASP A 9 -1.564 9.682 1.652 1.00 0.50 N ATOM 123 CA ASP A 9 -2.129 8.788 2.661 1.00 0.59 C ATOM 124 C ASP A 9 -1.420 7.448 2.611 1.00 0.52 C ATOM 125 O ASP A 9 -1.082 6.870 3.641 1.00 0.60 O ATOM 126 CB ASP A 9 -3.618 8.555 2.445 1.00 0.80 C ATOM 127 CG ASP A 9 -4.278 7.961 3.675 1.00 1.24 C ATOM 128 OD1 ASP A 9 -4.408 8.656 4.685 1.00 1.68 O ATOM 129 OD2 ASP A 9 -4.652 6.751 3.657 1.00 2.00 O ATOM 0 H ASP A 9 -2.135 9.793 0.814 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.990 9.265 3.631 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -4.101 9.499 2.193 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.762 7.887 1.596 1.00 0.80 H new ATOM 134 N LEU A 10 -1.174 6.976 1.396 1.00 0.46 N ATOM 135 CA LEU A 10 -0.482 5.715 1.172 1.00 0.48 C ATOM 136 C LEU A 10 0.932 5.774 1.748 1.00 0.45 C ATOM 137 O LEU A 10 1.397 4.828 2.394 1.00 0.51 O ATOM 138 CB LEU A 10 -0.438 5.390 -0.327 1.00 0.52 C ATOM 139 CG LEU A 10 0.225 4.066 -0.707 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.500 2.910 -0.050 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.242 3.892 -2.214 1.00 1.19 C ATOM 0 H LEU A 10 -1.449 7.456 0.539 1.00 0.46 H new ATOM 0 HA LEU A 10 -1.029 4.922 1.682 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.459 5.384 -0.707 1.00 0.52 H new ATOM 0 HB3 LEU A 10 0.088 6.197 -0.838 1.00 0.52 H new ATOM 0 HG LEU A 10 1.255 4.080 -0.352 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.018 1.973 -0.329 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.466 3.028 1.033 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.538 2.896 -0.381 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.718 2.944 -2.465 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.780 3.897 -2.592 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.801 4.710 -2.668 1.00 1.19 H new ATOM 153 N ARG A 11 1.594 6.902 1.543 1.00 0.42 N ATOM 154 CA ARG A 11 2.928 7.119 2.063 1.00 0.47 C ATOM 155 C ARG A 11 2.939 7.077 3.585 1.00 0.47 C ATOM 156 O ARG A 11 3.880 6.575 4.165 1.00 0.53 O ATOM 157 CB ARG A 11 3.532 8.416 1.513 1.00 0.56 C ATOM 158 CG ARG A 11 4.879 8.800 2.117 1.00 0.83 C ATOM 159 CD ARG A 11 5.548 9.907 1.326 1.00 0.87 C ATOM 160 NE ARG A 11 4.682 11.074 1.117 1.00 0.97 N ATOM 161 CZ ARG A 11 4.530 11.700 -0.067 1.00 1.40 C ATOM 162 NH1 ARG A 11 5.143 11.229 -1.157 1.00 1.87 N ATOM 163 NH2 ARG A 11 3.781 12.789 -0.153 1.00 1.87 N ATOM 0 H ARG A 11 1.220 7.689 1.012 1.00 0.42 H new ATOM 0 HA ARG A 11 3.563 6.302 1.719 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.648 8.317 0.434 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.827 9.230 1.684 1.00 0.56 H new ATOM 0 HG2 ARG A 11 4.738 9.123 3.148 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.530 7.926 2.143 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.452 10.222 1.848 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.859 9.516 0.357 1.00 0.87 H new ATOM 0 HE ARG A 11 4.163 11.434 1.918 1.00 0.97 H new ATOM 0 HH11 ARG A 11 5.727 10.395 -1.094 1.00 1.87 H new ATOM 0 HH12 ARG A 11 5.027 11.704 -2.052 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.317 13.156 0.678 1.00 1.87 H new ATOM 0 HH22 ARG A 11 3.668 13.261 -1.050 1.00 1.87 H new ATOM 177 N ARG A 12 1.864 7.554 4.212 1.00 0.46 N ATOM 178 CA ARG A 12 1.731 7.496 5.690 1.00 0.52 C ATOM 179 C ARG A 12 1.880 6.052 6.185 1.00 0.55 C ATOM 180 O ARG A 12 2.596 5.780 7.141 1.00 0.65 O ATOM 181 CB ARG A 12 0.376 8.056 6.147 1.00 0.53 C ATOM 182 CG ARG A 12 0.184 9.525 5.852 1.00 1.03 C ATOM 183 CD ARG A 12 -1.230 9.988 6.159 1.00 1.16 C ATOM 184 NE ARG A 12 -1.405 11.401 5.808 1.00 1.72 N ATOM 185 CZ ARG A 12 -2.436 11.914 5.113 1.00 2.32 C ATOM 186 NH1 ARG A 12 -3.453 11.151 4.733 1.00 2.40 N ATOM 187 NH2 ARG A 12 -2.433 13.190 4.781 1.00 3.33 N ATOM 0 H ARG A 12 1.072 7.984 3.735 1.00 0.46 H new ATOM 0 HA ARG A 12 2.524 8.109 6.118 1.00 0.52 H new ATOM 0 HB2 ARG A 12 -0.420 7.492 5.662 1.00 0.53 H new ATOM 0 HB3 ARG A 12 0.272 7.895 7.220 1.00 0.53 H new ATOM 0 HG2 ARG A 12 0.892 10.108 6.441 1.00 1.03 H new ATOM 0 HG3 ARG A 12 0.408 9.716 4.803 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -1.945 9.380 5.604 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -1.443 9.843 7.218 1.00 1.16 H new ATOM 0 HE ARG A 12 -0.682 12.051 6.118 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -3.461 10.158 4.967 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -4.226 11.557 4.207 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -1.650 13.785 5.051 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -3.214 13.582 4.254 1.00 3.33 H new ATOM 201 N ALA A 13 1.241 5.133 5.483 1.00 0.52 N ATOM 202 CA ALA A 13 1.298 3.729 5.834 1.00 0.58 C ATOM 203 C ALA A 13 2.666 3.147 5.508 1.00 0.59 C ATOM 204 O ALA A 13 3.196 2.330 6.260 1.00 0.67 O ATOM 205 CB ALA A 13 0.212 2.958 5.119 1.00 0.62 C ATOM 0 H ALA A 13 0.673 5.338 4.661 1.00 0.52 H new ATOM 0 HA ALA A 13 1.135 3.640 6.908 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.271 1.905 5.395 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.763 3.354 5.404 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.344 3.058 4.042 1.00 0.62 H new ATOM 211 N LEU A 14 3.243 3.595 4.397 1.00 0.56 N ATOM 212 CA LEU A 14 4.561 3.135 3.977 1.00 0.63 C ATOM 213 C LEU A 14 5.641 3.584 4.953 1.00 0.73 C ATOM 214 O LEU A 14 6.635 2.891 5.137 1.00 0.95 O ATOM 215 CB LEU A 14 4.886 3.589 2.552 1.00 0.64 C ATOM 216 CG LEU A 14 3.992 3.014 1.449 1.00 0.72 C ATOM 217 CD1 LEU A 14 4.399 3.567 0.102 1.00 1.05 C ATOM 218 CD2 LEU A 14 4.060 1.492 1.436 1.00 1.24 C ATOM 0 H LEU A 14 2.817 4.278 3.771 1.00 0.56 H new ATOM 0 HA LEU A 14 4.540 2.045 3.980 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.823 4.677 2.514 1.00 0.64 H new ATOM 0 HB3 LEU A 14 5.920 3.321 2.332 1.00 0.64 H new ATOM 0 HG LEU A 14 2.963 3.310 1.655 1.00 0.72 H new ATOM 0 HD11 LEU A 14 3.755 3.150 -0.672 1.00 1.05 H new ATOM 0 HD12 LEU A 14 4.301 4.653 0.110 1.00 1.05 H new ATOM 0 HD13 LEU A 14 5.435 3.298 -0.104 1.00 1.05 H new ATOM 0 HD21 LEU A 14 3.417 1.106 0.645 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.087 1.175 1.256 1.00 1.24 H new ATOM 0 HD23 LEU A 14 3.724 1.105 2.398 1.00 1.24 H new ATOM 230 N VAL A 15 5.442 4.747 5.560 1.00 0.69 N ATOM 231 CA VAL A 15 6.329 5.231 6.608 1.00 0.80 C ATOM 232 C VAL A 15 6.245 4.274 7.783 1.00 0.85 C ATOM 233 O VAL A 15 7.251 3.757 8.230 1.00 1.00 O ATOM 234 CB VAL A 15 5.947 6.677 7.072 1.00 0.85 C ATOM 235 CG1 VAL A 15 6.772 7.106 8.284 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.167 7.667 5.944 1.00 0.93 C ATOM 0 H VAL A 15 4.669 5.376 5.342 1.00 0.69 H new ATOM 0 HA VAL A 15 7.345 5.275 6.216 1.00 0.80 H new ATOM 0 HB VAL A 15 4.894 6.666 7.352 1.00 0.85 H new ATOM 0 HG11 VAL A 15 6.484 8.114 8.582 1.00 0.98 H new ATOM 0 HG12 VAL A 15 6.591 6.418 9.110 1.00 0.98 H new ATOM 0 HG13 VAL A 15 7.831 7.093 8.026 1.00 0.98 H new ATOM 0 HG21 VAL A 15 5.897 8.668 6.281 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.216 7.654 5.648 1.00 0.93 H new ATOM 0 HG23 VAL A 15 5.546 7.391 5.092 1.00 0.93 H new ATOM 246 N GLU A 16 5.033 4.022 8.243 1.00 0.83 N ATOM 247 CA GLU A 16 4.787 3.130 9.369 1.00 0.98 C ATOM 248 C GLU A 16 5.376 1.733 9.145 1.00 1.01 C ATOM 249 O GLU A 16 6.074 1.201 10.014 1.00 1.21 O ATOM 250 CB GLU A 16 3.290 3.043 9.655 1.00 1.12 C ATOM 251 CG GLU A 16 2.667 4.374 10.030 1.00 1.25 C ATOM 252 CD GLU A 16 3.243 4.950 11.298 1.00 1.62 C ATOM 253 OE1 GLU A 16 4.349 5.508 11.264 1.00 2.18 O ATOM 254 OE2 GLU A 16 2.602 4.846 12.358 1.00 1.93 O ATOM 0 H GLU A 16 4.186 4.430 7.847 1.00 0.83 H new ATOM 0 HA GLU A 16 5.294 3.553 10.236 1.00 0.98 H new ATOM 0 HB2 GLU A 16 2.782 2.648 8.775 1.00 1.12 H new ATOM 0 HB3 GLU A 16 3.124 2.332 10.464 1.00 1.12 H new ATOM 0 HG2 GLU A 16 2.815 5.082 9.215 1.00 1.25 H new ATOM 0 HG3 GLU A 16 1.591 4.246 10.150 1.00 1.25 H new ATOM 261 N SER A 17 5.130 1.162 7.988 1.00 0.92 N ATOM 262 CA SER A 17 5.622 -0.159 7.683 1.00 1.03 C ATOM 263 C SER A 17 7.150 -0.219 7.479 1.00 1.14 C ATOM 264 O SER A 17 7.783 -1.217 7.847 1.00 1.40 O ATOM 265 CB SER A 17 4.867 -0.749 6.497 1.00 0.97 C ATOM 266 OG SER A 17 3.484 -0.894 6.813 1.00 1.65 O ATOM 0 H SER A 17 4.589 1.596 7.240 1.00 0.92 H new ATOM 0 HA SER A 17 5.428 -0.775 8.561 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.982 -0.103 5.626 1.00 0.97 H new ATOM 0 HB3 SER A 17 5.290 -1.718 6.233 1.00 0.97 H new ATOM 0 HG SER A 17 3.392 -1.309 7.696 1.00 1.65 H new ATOM 272 N ALA A 18 7.746 0.821 6.924 1.00 1.07 N ATOM 273 CA ALA A 18 9.192 0.828 6.712 1.00 1.24 C ATOM 274 C ALA A 18 9.922 1.224 7.981 1.00 1.33 C ATOM 275 O ALA A 18 10.935 0.632 8.341 1.00 1.59 O ATOM 276 CB ALA A 18 9.579 1.757 5.568 1.00 1.29 C ATOM 0 H ALA A 18 7.263 1.664 6.614 1.00 1.07 H new ATOM 0 HA ALA A 18 9.489 -0.185 6.442 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.661 1.740 5.436 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.096 1.424 4.650 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.258 2.773 5.799 1.00 1.29 H new ATOM 282 N GLY A 19 9.395 2.202 8.657 1.00 1.34 N ATOM 283 CA GLY A 19 9.992 2.711 9.851 1.00 1.54 C ATOM 284 C GLY A 19 9.862 4.191 9.869 1.00 1.61 C ATOM 285 O GLY A 19 9.244 4.774 10.762 1.00 2.24 O ATOM 0 H GLY A 19 8.530 2.672 8.390 1.00 1.34 H new ATOM 0 HA2 GLY A 19 9.506 2.281 10.727 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.043 2.426 9.897 1.00 1.54 H new ATOM 289 N GLU A 20 10.423 4.782 8.864 1.00 1.53 N ATOM 290 CA GLU A 20 10.425 6.198 8.639 1.00 1.66 C ATOM 291 C GLU A 20 10.290 6.374 7.132 1.00 1.69 C ATOM 292 O GLU A 20 9.944 5.410 6.426 1.00 2.04 O ATOM 293 CB GLU A 20 11.773 6.793 9.112 1.00 2.11 C ATOM 294 CG GLU A 20 12.086 6.577 10.584 1.00 2.61 C ATOM 295 CD GLU A 20 13.460 7.051 10.965 1.00 3.24 C ATOM 296 OE1 GLU A 20 13.640 8.255 11.251 1.00 3.36 O ATOM 297 OE2 GLU A 20 14.403 6.245 10.959 1.00 3.97 O ATOM 0 H GLU A 20 10.919 4.266 8.138 1.00 1.53 H new ATOM 0 HA GLU A 20 9.622 6.699 9.180 1.00 1.66 H new ATOM 0 HB2 GLU A 20 12.575 6.356 8.517 1.00 2.11 H new ATOM 0 HB3 GLU A 20 11.772 7.864 8.909 1.00 2.11 H new ATOM 0 HG2 GLU A 20 11.346 7.101 11.188 1.00 2.61 H new ATOM 0 HG3 GLU A 20 11.995 5.516 10.818 1.00 2.61 H new ATOM 304 N THR A 21 10.545 7.548 6.638 1.00 1.88 N ATOM 305 CA THR A 21 10.580 7.775 5.225 1.00 2.20 C ATOM 306 C THR A 21 11.951 7.273 4.756 1.00 2.10 C ATOM 307 O THR A 21 12.945 8.013 4.797 1.00 2.75 O ATOM 308 CB THR A 21 10.416 9.287 4.911 1.00 2.92 C ATOM 309 OG1 THR A 21 9.283 9.814 5.643 1.00 3.25 O ATOM 310 CG2 THR A 21 10.181 9.503 3.419 1.00 3.47 C ATOM 0 H THR A 21 10.735 8.376 7.203 1.00 1.88 H new ATOM 0 HA THR A 21 9.768 7.256 4.716 1.00 2.20 H new ATOM 0 HB THR A 21 11.330 9.802 5.208 1.00 2.92 H new ATOM 0 HG1 THR A 21 9.181 10.769 5.446 1.00 3.25 H new ATOM 0 HG21 THR A 21 10.068 10.569 3.219 1.00 3.47 H new ATOM 0 HG22 THR A 21 11.031 9.116 2.857 1.00 3.47 H new ATOM 0 HG23 THR A 21 9.275 8.979 3.114 1.00 3.47 H new ATOM 318 N ASP A 22 11.999 5.957 4.475 1.00 1.66 N ATOM 319 CA ASP A 22 13.221 5.204 4.099 1.00 1.92 C ATOM 320 C ASP A 22 14.110 5.977 3.145 1.00 2.00 C ATOM 321 O ASP A 22 15.318 6.077 3.347 1.00 2.52 O ATOM 322 CB ASP A 22 12.852 3.841 3.510 1.00 2.44 C ATOM 323 CG ASP A 22 14.064 2.990 3.183 1.00 3.14 C ATOM 324 OD1 ASP A 22 14.747 2.527 4.107 1.00 3.81 O ATOM 325 OD2 ASP A 22 14.364 2.792 1.984 1.00 3.47 O ATOM 0 H ASP A 22 11.167 5.367 4.503 1.00 1.66 H new ATOM 0 HA ASP A 22 13.795 5.052 5.013 1.00 1.92 H new ATOM 0 HB2 ASP A 22 12.219 3.305 4.217 1.00 2.44 H new ATOM 0 HB3 ASP A 22 12.264 3.990 2.604 1.00 2.44 H new ATOM 330 N GLY A 23 13.512 6.558 2.139 1.00 1.96 N ATOM 331 CA GLY A 23 14.266 7.393 1.253 1.00 2.29 C ATOM 332 C GLY A 23 14.347 6.852 -0.147 1.00 1.79 C ATOM 333 O GLY A 23 15.166 7.298 -0.954 1.00 2.14 O ATOM 0 H GLY A 23 12.520 6.469 1.917 1.00 1.96 H new ATOM 0 HA2 GLY A 23 13.814 8.385 1.227 1.00 2.29 H new ATOM 0 HA3 GLY A 23 15.275 7.513 1.648 1.00 2.29 H new ATOM 337 N THR A 24 13.489 5.920 -0.447 1.00 1.42 N ATOM 338 CA THR A 24 13.390 5.294 -1.741 1.00 1.57 C ATOM 339 C THR A 24 12.604 6.166 -2.742 1.00 1.79 C ATOM 340 O THR A 24 11.829 5.652 -3.560 1.00 2.50 O ATOM 341 CB THR A 24 12.666 3.974 -1.523 1.00 2.00 C ATOM 342 OG1 THR A 24 11.718 4.157 -0.430 1.00 2.76 O ATOM 343 CG2 THR A 24 13.641 2.875 -1.169 1.00 2.01 C ATOM 0 H THR A 24 12.812 5.559 0.226 1.00 1.42 H new ATOM 0 HA THR A 24 14.383 5.151 -2.166 1.00 1.57 H new ATOM 0 HB THR A 24 12.152 3.684 -2.440 1.00 2.00 H new ATOM 0 HG1 THR A 24 11.236 3.318 -0.271 1.00 2.76 H new ATOM 0 HG21 THR A 24 13.098 1.942 -1.018 1.00 2.01 H new ATOM 0 HG22 THR A 24 14.359 2.750 -1.980 1.00 2.01 H new ATOM 0 HG23 THR A 24 14.170 3.139 -0.253 1.00 2.01 H new ATOM 351 N ASP A 25 12.898 7.481 -2.725 1.00 1.60 N ATOM 352 CA ASP A 25 12.187 8.511 -3.518 1.00 1.91 C ATOM 353 C ASP A 25 10.704 8.446 -3.162 1.00 1.36 C ATOM 354 O ASP A 25 9.812 8.733 -3.952 1.00 1.34 O ATOM 355 CB ASP A 25 12.414 8.334 -5.027 1.00 2.62 C ATOM 356 CG ASP A 25 12.006 9.561 -5.824 1.00 3.27 C ATOM 357 OD1 ASP A 25 12.717 10.576 -5.799 1.00 3.79 O ATOM 358 OD2 ASP A 25 10.928 9.537 -6.457 1.00 3.69 O ATOM 0 H ASP A 25 13.648 7.867 -2.151 1.00 1.60 H new ATOM 0 HA ASP A 25 12.584 9.496 -3.271 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.467 8.119 -5.210 1.00 2.62 H new ATOM 0 HB3 ASP A 25 11.847 7.472 -5.378 1.00 2.62 H new ATOM 363 N LEU A 26 10.479 8.173 -1.899 1.00 1.18 N ATOM 364 CA LEU A 26 9.171 7.971 -1.345 1.00 0.83 C ATOM 365 C LEU A 26 8.473 9.325 -1.246 1.00 0.82 C ATOM 366 O LEU A 26 7.251 9.414 -1.218 1.00 0.85 O ATOM 367 CB LEU A 26 9.314 7.339 0.051 1.00 1.19 C ATOM 368 CG LEU A 26 8.075 6.654 0.623 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.741 5.413 -0.197 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.292 6.284 2.085 1.00 0.87 C ATOM 0 H LEU A 26 11.227 8.084 -1.211 1.00 1.18 H new ATOM 0 HA LEU A 26 8.581 7.306 -1.976 1.00 0.83 H new ATOM 0 HB2 LEU A 26 10.120 6.607 0.012 1.00 1.19 H new ATOM 0 HB3 LEU A 26 9.624 8.118 0.747 1.00 1.19 H new ATOM 0 HG LEU A 26 7.236 7.348 0.569 1.00 0.80 H new ATOM 0 HD11 LEU A 26 6.856 4.930 0.218 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.547 5.701 -1.230 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.581 4.719 -0.166 1.00 0.94 H new ATOM 0 HD21 LEU A 26 7.398 5.797 2.474 1.00 0.87 H new ATOM 0 HD22 LEU A 26 9.140 5.604 2.166 1.00 0.87 H new ATOM 0 HD23 LEU A 26 8.494 7.186 2.662 1.00 0.87 H new ATOM 382 N SER A 27 9.269 10.375 -1.212 1.00 0.91 N ATOM 383 CA SER A 27 8.760 11.724 -1.171 1.00 0.99 C ATOM 384 C SER A 27 8.722 12.337 -2.570 1.00 1.04 C ATOM 385 O SER A 27 8.347 13.498 -2.766 1.00 1.44 O ATOM 386 CB SER A 27 9.586 12.562 -0.189 1.00 1.16 C ATOM 387 OG SER A 27 10.989 12.400 -0.437 1.00 1.55 O ATOM 0 H SER A 27 10.287 10.313 -1.212 1.00 0.91 H new ATOM 0 HA SER A 27 7.731 11.709 -0.811 1.00 0.99 H new ATOM 0 HB2 SER A 27 9.314 13.613 -0.283 1.00 1.16 H new ATOM 0 HB3 SER A 27 9.356 12.264 0.834 1.00 1.16 H new ATOM 0 HG SER A 27 11.499 12.944 0.199 1.00 1.55 H new ATOM 393 N GLY A 28 9.057 11.530 -3.523 1.00 1.36 N ATOM 394 CA GLY A 28 9.114 11.955 -4.896 1.00 1.53 C ATOM 395 C GLY A 28 8.006 11.332 -5.683 1.00 1.44 C ATOM 396 O GLY A 28 6.927 11.920 -5.824 1.00 2.11 O ATOM 0 H GLY A 28 9.301 10.551 -3.377 1.00 1.36 H new ATOM 0 HA2 GLY A 28 9.040 13.041 -4.950 1.00 1.53 H new ATOM 0 HA3 GLY A 28 10.075 11.679 -5.329 1.00 1.53 H new ATOM 400 N ASP A 29 8.243 10.153 -6.176 1.00 1.11 N ATOM 401 CA ASP A 29 7.238 9.407 -6.899 1.00 1.05 C ATOM 402 C ASP A 29 7.473 7.943 -6.702 1.00 0.88 C ATOM 403 O ASP A 29 8.511 7.420 -7.094 1.00 1.07 O ATOM 404 CB ASP A 29 7.251 9.718 -8.395 1.00 1.32 C ATOM 405 CG ASP A 29 6.145 8.988 -9.129 1.00 1.67 C ATOM 406 OD1 ASP A 29 5.022 9.543 -9.216 1.00 2.27 O ATOM 407 OD2 ASP A 29 6.362 7.863 -9.612 1.00 2.12 O ATOM 0 H ASP A 29 9.139 9.674 -6.092 1.00 1.11 H new ATOM 0 HA ASP A 29 6.264 9.700 -6.506 1.00 1.05 H new ATOM 0 HB2 ASP A 29 7.140 10.792 -8.544 1.00 1.32 H new ATOM 0 HB3 ASP A 29 8.216 9.436 -8.817 1.00 1.32 H new ATOM 412 N PHE A 30 6.541 7.283 -6.101 1.00 0.67 N ATOM 413 CA PHE A 30 6.697 5.878 -5.860 1.00 0.55 C ATOM 414 C PHE A 30 5.630 5.061 -6.557 1.00 0.42 C ATOM 415 O PHE A 30 5.699 3.843 -6.582 1.00 0.41 O ATOM 416 CB PHE A 30 6.786 5.551 -4.357 1.00 0.56 C ATOM 417 CG PHE A 30 5.617 6.005 -3.527 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.488 5.220 -3.419 1.00 0.52 C ATOM 419 CD2 PHE A 30 5.643 7.221 -2.874 1.00 0.68 C ATOM 420 CE1 PHE A 30 3.405 5.638 -2.675 1.00 0.60 C ATOM 421 CE2 PHE A 30 4.567 7.644 -2.126 1.00 0.74 C ATOM 422 CZ PHE A 30 3.482 6.831 -1.966 1.00 0.69 C ATOM 0 H PHE A 30 5.665 7.686 -5.767 1.00 0.67 H new ATOM 0 HA PHE A 30 7.652 5.590 -6.299 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.893 4.472 -4.243 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.692 6.006 -3.957 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.452 4.266 -3.924 1.00 0.52 H new ATOM 0 HD2 PHE A 30 6.519 7.849 -2.951 1.00 0.68 H new ATOM 0 HE1 PHE A 30 2.504 5.043 -2.643 1.00 0.60 H new ATOM 0 HE2 PHE A 30 4.581 8.621 -1.665 1.00 0.74 H new ATOM 0 HZ PHE A 30 2.687 7.114 -1.292 1.00 0.69 H new ATOM 432 N LEU A 31 4.649 5.722 -7.143 1.00 0.39 N ATOM 433 CA LEU A 31 3.591 5.002 -7.822 1.00 0.35 C ATOM 434 C LEU A 31 4.098 4.336 -9.083 1.00 0.38 C ATOM 435 O LEU A 31 3.728 3.216 -9.377 1.00 0.50 O ATOM 436 CB LEU A 31 2.378 5.888 -8.129 1.00 0.39 C ATOM 437 CG LEU A 31 1.619 6.439 -6.915 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.419 7.249 -7.363 1.00 1.17 C ATOM 439 CD2 LEU A 31 1.186 5.316 -5.984 1.00 1.45 C ATOM 0 H LEU A 31 4.563 6.738 -7.163 1.00 0.39 H new ATOM 0 HA LEU A 31 3.256 4.227 -7.133 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.713 6.730 -8.735 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.680 5.314 -8.738 1.00 0.39 H new ATOM 0 HG LEU A 31 2.295 7.093 -6.363 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.108 7.632 -6.489 1.00 1.17 H new ATOM 0 HD12 LEU A 31 0.753 8.083 -7.980 1.00 1.17 H new ATOM 0 HD13 LEU A 31 -0.252 6.615 -7.942 1.00 1.17 H new ATOM 0 HD21 LEU A 31 0.650 5.736 -5.132 1.00 1.45 H new ATOM 0 HD22 LEU A 31 0.532 4.629 -6.522 1.00 1.45 H new ATOM 0 HD23 LEU A 31 2.065 4.777 -5.630 1.00 1.45 H new ATOM 451 N ASP A 32 5.011 4.982 -9.784 1.00 0.44 N ATOM 452 CA ASP A 32 5.513 4.428 -11.050 1.00 0.57 C ATOM 453 C ASP A 32 6.701 3.486 -10.791 1.00 0.48 C ATOM 454 O ASP A 32 7.420 3.073 -11.699 1.00 0.54 O ATOM 455 CB ASP A 32 5.881 5.570 -12.013 1.00 0.84 C ATOM 456 CG ASP A 32 6.079 5.119 -13.446 1.00 1.69 C ATOM 457 OD1 ASP A 32 5.100 4.705 -14.099 1.00 2.45 O ATOM 458 OD2 ASP A 32 7.247 5.118 -13.923 1.00 2.24 O ATOM 0 H ASP A 32 5.421 5.876 -9.514 1.00 0.44 H new ATOM 0 HA ASP A 32 4.729 3.835 -11.522 1.00 0.57 H new ATOM 0 HB2 ASP A 32 5.095 6.325 -11.984 1.00 0.84 H new ATOM 0 HB3 ASP A 32 6.795 6.048 -11.662 1.00 0.84 H new ATOM 463 N LEU A 33 6.858 3.122 -9.541 1.00 0.43 N ATOM 464 CA LEU A 33 7.907 2.233 -9.096 1.00 0.40 C ATOM 465 C LEU A 33 7.319 0.881 -8.797 1.00 0.33 C ATOM 466 O LEU A 33 6.114 0.697 -8.892 1.00 0.36 O ATOM 467 CB LEU A 33 8.524 2.758 -7.811 1.00 0.44 C ATOM 468 CG LEU A 33 9.167 4.140 -7.871 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.856 4.459 -6.555 1.00 0.67 C ATOM 470 CD2 LEU A 33 10.147 4.237 -9.026 1.00 0.71 C ATOM 0 H LEU A 33 6.248 3.441 -8.788 1.00 0.43 H new ATOM 0 HA LEU A 33 8.662 2.167 -9.879 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.749 2.777 -7.045 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.280 2.046 -7.481 1.00 0.44 H new ATOM 0 HG LEU A 33 8.379 4.875 -8.039 1.00 0.57 H new ATOM 0 HD11 LEU A 33 10.310 5.448 -6.613 1.00 0.67 H new ATOM 0 HD12 LEU A 33 9.124 4.442 -5.748 1.00 0.67 H new ATOM 0 HD13 LEU A 33 10.629 3.716 -6.359 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.590 5.233 -9.045 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.933 3.492 -8.900 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.623 4.056 -9.964 1.00 0.71 H new ATOM 482 N ARG A 34 8.159 -0.050 -8.430 1.00 0.31 N ATOM 483 CA ARG A 34 7.734 -1.364 -8.019 1.00 0.32 C ATOM 484 C ARG A 34 8.162 -1.571 -6.575 1.00 0.36 C ATOM 485 O ARG A 34 9.080 -0.893 -6.090 1.00 0.48 O ATOM 486 CB ARG A 34 8.406 -2.419 -8.878 1.00 0.43 C ATOM 487 CG ARG A 34 8.154 -2.280 -10.363 1.00 0.59 C ATOM 488 CD ARG A 34 8.939 -3.319 -11.122 1.00 0.89 C ATOM 489 NE ARG A 34 8.592 -4.660 -10.683 1.00 1.94 N ATOM 490 CZ ARG A 34 9.457 -5.621 -10.373 1.00 2.65 C ATOM 491 NH1 ARG A 34 10.766 -5.406 -10.476 1.00 2.65 N ATOM 492 NH2 ARG A 34 9.002 -6.774 -9.927 1.00 3.76 N ATOM 0 H ARG A 34 9.170 0.083 -8.407 1.00 0.31 H new ATOM 0 HA ARG A 34 6.652 -1.449 -8.124 1.00 0.32 H new ATOM 0 HB2 ARG A 34 9.481 -2.382 -8.701 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.064 -3.402 -8.556 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.090 -2.393 -10.571 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.440 -1.282 -10.696 1.00 0.59 H new ATOM 0 HD2 ARG A 34 8.742 -3.220 -12.190 1.00 0.89 H new ATOM 0 HD3 ARG A 34 10.006 -3.150 -10.978 1.00 0.89 H new ATOM 0 HE ARG A 34 7.600 -4.883 -10.606 1.00 1.94 H new ATOM 0 HH11 ARG A 34 11.111 -4.500 -10.794 1.00 2.65 H new ATOM 0 HH12 ARG A 34 11.425 -6.147 -10.237 1.00 2.65 H new ATOM 0 HH21 ARG A 34 7.998 -6.920 -9.823 1.00 3.76 H new ATOM 0 HH22 ARG A 34 9.654 -7.520 -9.685 1.00 3.76 H new ATOM 506 N PHE A 35 7.538 -2.502 -5.888 1.00 0.35 N ATOM 507 CA PHE A 35 7.904 -2.782 -4.506 1.00 0.41 C ATOM 508 C PHE A 35 9.271 -3.430 -4.409 1.00 0.48 C ATOM 509 O PHE A 35 10.020 -3.166 -3.460 1.00 0.54 O ATOM 510 CB PHE A 35 6.852 -3.605 -3.776 1.00 0.41 C ATOM 511 CG PHE A 35 5.607 -2.839 -3.445 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.640 -1.772 -2.575 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.397 -3.188 -4.025 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.494 -1.060 -2.293 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.247 -2.483 -3.746 1.00 0.46 C ATOM 516 CZ PHE A 35 3.315 -1.426 -2.786 1.00 0.46 C ATOM 0 H PHE A 35 6.780 -3.077 -6.255 1.00 0.35 H new ATOM 0 HA PHE A 35 7.955 -1.817 -4.002 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.586 -4.465 -4.391 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.284 -3.994 -2.854 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.573 -1.490 -2.109 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.356 -4.025 -4.706 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.555 -0.188 -1.659 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.317 -2.723 -4.240 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.413 -0.927 -2.463 1.00 0.46 H new ATOM 526 N GLU A 36 9.604 -4.245 -5.402 1.00 0.56 N ATOM 527 CA GLU A 36 10.910 -4.891 -5.493 1.00 0.70 C ATOM 528 C GLU A 36 12.032 -3.831 -5.551 1.00 0.69 C ATOM 529 O GLU A 36 13.142 -4.051 -5.042 1.00 0.80 O ATOM 530 CB GLU A 36 10.962 -5.782 -6.743 1.00 0.88 C ATOM 531 CG GLU A 36 12.248 -6.579 -6.900 1.00 1.65 C ATOM 532 CD GLU A 36 12.302 -7.343 -8.197 1.00 2.01 C ATOM 533 OE1 GLU A 36 12.695 -6.762 -9.225 1.00 2.71 O ATOM 534 OE2 GLU A 36 11.939 -8.526 -8.229 1.00 2.26 O ATOM 0 H GLU A 36 8.975 -4.478 -6.170 1.00 0.56 H new ATOM 0 HA GLU A 36 11.061 -5.507 -4.607 1.00 0.70 H new ATOM 0 HB2 GLU A 36 10.122 -6.476 -6.714 1.00 0.88 H new ATOM 0 HB3 GLU A 36 10.828 -5.156 -7.625 1.00 0.88 H new ATOM 0 HG2 GLU A 36 13.100 -5.901 -6.846 1.00 1.65 H new ATOM 0 HG3 GLU A 36 12.343 -7.276 -6.068 1.00 1.65 H new ATOM 541 N ASP A 37 11.723 -2.669 -6.143 1.00 0.67 N ATOM 542 CA ASP A 37 12.698 -1.576 -6.257 1.00 0.76 C ATOM 543 C ASP A 37 12.965 -0.992 -4.901 1.00 0.72 C ATOM 544 O ASP A 37 14.112 -0.867 -4.474 1.00 0.87 O ATOM 545 CB ASP A 37 12.204 -0.410 -7.146 1.00 0.88 C ATOM 546 CG ASP A 37 11.921 -0.756 -8.580 1.00 1.13 C ATOM 547 OD1 ASP A 37 12.778 -1.379 -9.220 1.00 1.43 O ATOM 548 OD2 ASP A 37 10.811 -0.472 -9.073 1.00 1.61 O ATOM 0 H ASP A 37 10.810 -2.462 -6.548 1.00 0.67 H new ATOM 0 HA ASP A 37 13.588 -2.017 -6.707 1.00 0.76 H new ATOM 0 HB2 ASP A 37 11.295 -0.001 -6.704 1.00 0.88 H new ATOM 0 HB3 ASP A 37 12.953 0.381 -7.124 1.00 0.88 H new ATOM 553 N ILE A 38 11.887 -0.691 -4.194 1.00 0.59 N ATOM 554 CA ILE A 38 11.972 0.017 -2.924 1.00 0.62 C ATOM 555 C ILE A 38 12.212 -0.899 -1.720 1.00 0.60 C ATOM 556 O ILE A 38 12.105 -0.461 -0.569 1.00 0.66 O ATOM 557 CB ILE A 38 10.740 0.931 -2.671 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.439 0.107 -2.636 1.00 0.52 C ATOM 559 CG2 ILE A 38 10.664 2.014 -3.746 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.197 0.922 -2.335 1.00 0.57 C ATOM 0 H ILE A 38 10.937 -0.927 -4.480 1.00 0.59 H new ATOM 0 HA ILE A 38 12.855 0.648 -3.022 1.00 0.62 H new ATOM 0 HB ILE A 38 10.858 1.408 -1.698 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.310 -0.389 -3.598 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.538 -0.676 -1.884 1.00 0.52 H new ATOM 0 HG21 ILE A 38 9.798 2.650 -3.561 1.00 0.70 H new ATOM 0 HG22 ILE A 38 11.571 2.618 -3.718 1.00 0.70 H new ATOM 0 HG23 ILE A 38 10.569 1.547 -4.726 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.325 0.268 -2.329 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.301 1.397 -1.360 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.070 1.688 -3.100 1.00 0.57 H new ATOM 572 N GLY A 39 12.590 -2.133 -1.992 1.00 0.57 N ATOM 573 CA GLY A 39 12.917 -3.084 -0.942 1.00 0.58 C ATOM 574 C GLY A 39 11.723 -3.495 -0.102 1.00 0.50 C ATOM 575 O GLY A 39 11.865 -3.805 1.085 1.00 0.57 O ATOM 0 H GLY A 39 12.679 -2.504 -2.938 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.357 -3.974 -1.393 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.675 -2.648 -0.292 1.00 0.58 H new ATOM 579 N TYR A 40 10.559 -3.497 -0.694 1.00 0.43 N ATOM 580 CA TYR A 40 9.372 -3.898 0.012 1.00 0.41 C ATOM 581 C TYR A 40 9.053 -5.336 -0.278 1.00 0.45 C ATOM 582 O TYR A 40 9.281 -5.822 -1.384 1.00 0.67 O ATOM 583 CB TYR A 40 8.187 -2.990 -0.304 1.00 0.44 C ATOM 584 CG TYR A 40 7.797 -2.107 0.855 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.452 -0.909 1.104 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.781 -2.489 1.718 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.101 -0.115 2.183 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.422 -1.702 2.791 1.00 0.86 C ATOM 589 CZ TYR A 40 7.087 -0.522 3.023 1.00 0.98 C ATOM 590 OH TYR A 40 6.739 0.250 4.101 1.00 1.26 O ATOM 0 H TYR A 40 10.407 -3.225 -1.665 1.00 0.43 H new ATOM 0 HA TYR A 40 9.568 -3.797 1.079 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.433 -2.366 -1.163 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.333 -3.603 -0.590 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.247 -0.591 0.446 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.262 -3.420 1.546 1.00 0.61 H new ATOM 0 HE1 TYR A 40 8.618 0.816 2.365 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.621 -2.011 3.447 1.00 0.86 H new ATOM 0 HH TYR A 40 6.927 1.191 3.904 1.00 1.26 H new ATOM 600 N ASP A 41 8.572 -6.025 0.719 1.00 0.48 N ATOM 601 CA ASP A 41 8.255 -7.431 0.594 1.00 0.59 C ATOM 602 C ASP A 41 6.772 -7.574 0.592 1.00 0.45 C ATOM 603 O ASP A 41 6.077 -6.730 1.159 1.00 0.39 O ATOM 604 CB ASP A 41 8.803 -8.234 1.785 1.00 0.85 C ATOM 605 CG ASP A 41 10.273 -8.018 2.046 1.00 1.50 C ATOM 606 OD1 ASP A 41 11.104 -8.482 1.255 1.00 2.11 O ATOM 607 OD2 ASP A 41 10.625 -7.388 3.068 1.00 2.01 O ATOM 0 H ASP A 41 8.387 -5.634 1.643 1.00 0.48 H new ATOM 0 HA ASP A 41 8.704 -7.809 -0.325 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.242 -7.965 2.680 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.628 -9.295 1.606 1.00 0.85 H new ATOM 612 N SER A 42 6.282 -8.629 0.008 1.00 0.45 N ATOM 613 CA SER A 42 4.862 -8.907 -0.021 1.00 0.41 C ATOM 614 C SER A 42 4.259 -9.079 1.381 1.00 0.33 C ATOM 615 O SER A 42 3.118 -8.709 1.621 1.00 0.30 O ATOM 616 CB SER A 42 4.533 -10.086 -0.955 1.00 0.50 C ATOM 617 OG SER A 42 5.722 -10.960 -1.200 1.00 0.71 O ATOM 0 H SER A 42 6.853 -9.329 -0.466 1.00 0.45 H new ATOM 0 HA SER A 42 4.379 -8.024 -0.441 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.731 -10.681 -0.518 1.00 0.50 H new ATOM 0 HB3 SER A 42 4.164 -9.702 -1.906 1.00 0.50 H new ATOM 622 N LEU A 43 5.034 -9.626 2.306 1.00 0.35 N ATOM 623 CA LEU A 43 4.579 -9.758 3.685 1.00 0.37 C ATOM 624 C LEU A 43 4.461 -8.380 4.329 1.00 0.33 C ATOM 625 O LEU A 43 3.584 -8.133 5.150 1.00 0.38 O ATOM 626 CB LEU A 43 5.518 -10.638 4.506 1.00 0.49 C ATOM 627 CG LEU A 43 5.059 -10.917 5.943 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.781 -11.748 5.957 1.00 1.02 C ATOM 629 CD2 LEU A 43 6.152 -11.588 6.738 1.00 1.03 C ATOM 0 H LEU A 43 5.973 -9.983 2.131 1.00 0.35 H new ATOM 0 HA LEU A 43 3.601 -10.238 3.669 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.643 -11.590 3.990 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.499 -10.163 4.540 1.00 0.49 H new ATOM 0 HG LEU A 43 4.840 -9.960 6.417 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.478 -11.931 6.988 1.00 1.02 H new ATOM 0 HD12 LEU A 43 2.990 -11.208 5.436 1.00 1.02 H new ATOM 0 HD13 LEU A 43 3.960 -12.700 5.457 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.801 -11.775 7.753 1.00 1.03 H new ATOM 0 HD22 LEU A 43 6.417 -12.534 6.266 1.00 1.03 H new ATOM 0 HD23 LEU A 43 7.028 -10.941 6.770 1.00 1.03 H new ATOM 641 N ALA A 44 5.326 -7.475 3.915 1.00 0.33 N ATOM 642 CA ALA A 44 5.303 -6.119 4.414 1.00 0.37 C ATOM 643 C ALA A 44 4.111 -5.391 3.823 1.00 0.31 C ATOM 644 O ALA A 44 3.524 -4.538 4.461 1.00 0.35 O ATOM 645 CB ALA A 44 6.604 -5.397 4.090 1.00 0.46 C ATOM 0 H ALA A 44 6.058 -7.659 3.229 1.00 0.33 H new ATOM 0 HA ALA A 44 5.206 -6.137 5.500 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.561 -4.379 4.476 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.438 -5.925 4.552 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.746 -5.369 3.010 1.00 0.46 H new ATOM 651 N LEU A 45 3.739 -5.781 2.603 1.00 0.26 N ATOM 652 CA LEU A 45 2.568 -5.227 1.927 1.00 0.25 C ATOM 653 C LEU A 45 1.316 -5.559 2.709 1.00 0.28 C ATOM 654 O LEU A 45 0.413 -4.739 2.815 1.00 0.29 O ATOM 655 CB LEU A 45 2.442 -5.771 0.501 1.00 0.28 C ATOM 656 CG LEU A 45 3.642 -5.535 -0.402 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.370 -6.030 -1.811 1.00 0.39 C ATOM 658 CD2 LEU A 45 4.026 -4.073 -0.397 1.00 0.40 C ATOM 0 H LEU A 45 4.238 -6.485 2.060 1.00 0.26 H new ATOM 0 HA LEU A 45 2.691 -4.145 1.872 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.257 -6.844 0.556 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.566 -5.320 0.036 1.00 0.28 H new ATOM 0 HG LEU A 45 4.484 -6.107 -0.012 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.245 -5.849 -2.436 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.157 -7.099 -1.786 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.513 -5.499 -2.224 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.887 -3.921 -1.048 1.00 0.40 H new ATOM 0 HD22 LEU A 45 3.188 -3.476 -0.757 1.00 0.40 H new ATOM 0 HD23 LEU A 45 4.280 -3.767 0.618 1.00 0.40 H new ATOM 670 N MET A 46 1.287 -6.769 3.263 1.00 0.34 N ATOM 671 CA MET A 46 0.191 -7.228 4.126 1.00 0.44 C ATOM 672 C MET A 46 0.068 -6.290 5.308 1.00 0.40 C ATOM 673 O MET A 46 -1.005 -5.795 5.619 1.00 0.45 O ATOM 674 CB MET A 46 0.485 -8.633 4.676 1.00 0.71 C ATOM 675 CG MET A 46 0.701 -9.708 3.635 1.00 0.38 C ATOM 676 SD MET A 46 -0.760 -10.041 2.642 1.00 1.64 S ATOM 677 CE MET A 46 -1.912 -10.544 3.918 1.00 2.26 C ATOM 0 H MET A 46 2.022 -7.463 3.128 1.00 0.34 H new ATOM 0 HA MET A 46 -0.726 -7.247 3.536 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.372 -8.579 5.307 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.344 -8.934 5.317 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.518 -9.409 2.978 1.00 0.38 H new ATOM 0 HG3 MET A 46 1.012 -10.627 4.131 1.00 0.38 H new ATOM 0 HE1 MET A 46 -2.901 -10.684 3.481 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.576 -11.481 4.363 1.00 2.26 H new ATOM 0 HE3 MET A 46 -1.961 -9.774 4.688 1.00 2.26 H new ATOM 687 N GLU A 47 1.211 -6.027 5.921 1.00 0.40 N ATOM 688 CA GLU A 47 1.332 -5.190 7.102 1.00 0.46 C ATOM 689 C GLU A 47 0.804 -3.767 6.778 1.00 0.43 C ATOM 690 O GLU A 47 -0.030 -3.219 7.509 1.00 0.53 O ATOM 691 CB GLU A 47 2.822 -5.194 7.505 1.00 0.54 C ATOM 692 CG GLU A 47 3.155 -4.860 8.962 1.00 1.22 C ATOM 693 CD GLU A 47 2.914 -3.428 9.344 1.00 1.77 C ATOM 694 OE1 GLU A 47 3.639 -2.543 8.857 1.00 2.22 O ATOM 695 OE2 GLU A 47 2.009 -3.160 10.156 1.00 2.46 O ATOM 0 H GLU A 47 2.105 -6.401 5.601 1.00 0.40 H new ATOM 0 HA GLU A 47 0.737 -5.561 7.937 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.229 -6.181 7.283 1.00 0.54 H new ATOM 0 HB3 GLU A 47 3.346 -4.482 6.867 1.00 0.54 H new ATOM 0 HG2 GLU A 47 2.561 -5.501 9.613 1.00 1.22 H new ATOM 0 HG3 GLU A 47 4.202 -5.101 9.146 1.00 1.22 H new ATOM 702 N THR A 48 1.257 -3.217 5.663 1.00 0.33 N ATOM 703 CA THR A 48 0.815 -1.918 5.182 1.00 0.33 C ATOM 704 C THR A 48 -0.713 -1.923 4.914 1.00 0.31 C ATOM 705 O THR A 48 -1.468 -1.103 5.488 1.00 0.36 O ATOM 706 CB THR A 48 1.570 -1.592 3.873 1.00 0.32 C ATOM 707 OG1 THR A 48 2.974 -1.674 4.115 1.00 0.37 O ATOM 708 CG2 THR A 48 1.229 -0.195 3.374 1.00 0.38 C ATOM 0 H THR A 48 1.948 -3.664 5.061 1.00 0.33 H new ATOM 0 HA THR A 48 1.027 -1.164 5.940 1.00 0.33 H new ATOM 0 HB THR A 48 1.270 -2.311 3.111 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.148 -1.563 5.073 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.775 0.005 2.452 1.00 0.38 H new ATOM 0 HG22 THR A 48 0.158 -0.128 3.183 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.509 0.540 4.129 1.00 0.38 H new ATOM 716 N ALA A 49 -1.152 -2.848 4.052 1.00 0.29 N ATOM 717 CA ALA A 49 -2.547 -2.958 3.636 1.00 0.31 C ATOM 718 C ALA A 49 -3.485 -3.110 4.820 1.00 0.29 C ATOM 719 O ALA A 49 -4.484 -2.414 4.885 1.00 0.27 O ATOM 720 CB ALA A 49 -2.734 -4.111 2.660 1.00 0.35 C ATOM 0 H ALA A 49 -0.542 -3.544 3.623 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.803 -2.026 3.131 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -3.782 -4.172 2.365 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.118 -3.944 1.777 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.437 -5.044 3.138 1.00 0.35 H new ATOM 726 N ALA A 50 -3.116 -3.974 5.770 1.00 0.33 N ATOM 727 CA ALA A 50 -3.919 -4.258 6.975 1.00 0.37 C ATOM 728 C ALA A 50 -4.315 -2.984 7.698 1.00 0.33 C ATOM 729 O ALA A 50 -5.477 -2.798 8.089 1.00 0.34 O ATOM 730 CB ALA A 50 -3.135 -5.140 7.919 1.00 0.47 C ATOM 0 H ALA A 50 -2.245 -4.503 5.729 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.828 -4.766 6.653 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.734 -5.346 8.806 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.890 -6.078 7.421 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.215 -4.633 8.211 1.00 0.47 H new ATOM 736 N ARG A 51 -3.353 -2.091 7.841 1.00 0.34 N ATOM 737 CA ARG A 51 -3.578 -0.827 8.499 1.00 0.36 C ATOM 738 C ARG A 51 -4.591 -0.004 7.724 1.00 0.33 C ATOM 739 O ARG A 51 -5.518 0.566 8.293 1.00 0.42 O ATOM 740 CB ARG A 51 -2.278 -0.048 8.616 1.00 0.44 C ATOM 741 CG ARG A 51 -2.452 1.323 9.227 1.00 0.54 C ATOM 742 CD ARG A 51 -1.152 2.059 9.267 1.00 0.88 C ATOM 743 NE ARG A 51 -1.288 3.369 9.890 1.00 1.06 N ATOM 744 CZ ARG A 51 -0.652 3.743 10.990 1.00 1.91 C ATOM 745 NH1 ARG A 51 0.015 2.844 11.714 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.735 4.996 11.390 1.00 2.00 N ATOM 0 H ARG A 51 -2.400 -2.225 7.504 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.964 -1.028 9.498 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.574 -0.620 9.220 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.836 0.057 7.625 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -3.179 1.893 8.649 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.851 1.227 10.237 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.418 1.470 9.817 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.770 2.177 8.253 1.00 0.88 H new ATOM 0 HE ARG A 51 -1.915 4.043 9.450 1.00 1.06 H new ATOM 0 HH11 ARG A 51 0.036 1.867 11.421 1.00 2.92 H new ATOM 0 HH12 ARG A 51 0.504 3.133 12.561 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -1.285 5.667 10.854 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -0.249 5.295 12.236 1.00 2.00 H new ATOM 760 N LEU A 52 -4.421 0.023 6.427 1.00 0.28 N ATOM 761 CA LEU A 52 -5.275 0.797 5.566 1.00 0.30 C ATOM 762 C LEU A 52 -6.689 0.234 5.551 1.00 0.30 C ATOM 763 O LEU A 52 -7.655 0.997 5.558 1.00 0.37 O ATOM 764 CB LEU A 52 -4.669 0.908 4.168 1.00 0.31 C ATOM 765 CG LEU A 52 -3.284 1.574 4.123 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.737 1.621 2.716 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.349 2.972 4.698 1.00 0.40 C ATOM 0 H LEU A 52 -3.687 -0.491 5.939 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.349 1.810 5.962 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.591 -0.091 3.739 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.351 1.475 3.534 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.610 0.969 4.729 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -1.757 2.098 2.722 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.644 0.607 2.328 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.414 2.192 2.081 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.360 3.428 4.658 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.049 3.572 4.117 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.685 2.924 5.734 1.00 0.40 H new ATOM 779 N GLU A 53 -6.806 -1.096 5.577 1.00 0.27 N ATOM 780 CA GLU A 53 -8.099 -1.755 5.667 1.00 0.30 C ATOM 781 C GLU A 53 -8.805 -1.309 6.930 1.00 0.33 C ATOM 782 O GLU A 53 -9.942 -0.891 6.880 1.00 0.35 O ATOM 783 CB GLU A 53 -7.965 -3.258 5.750 1.00 0.33 C ATOM 784 CG GLU A 53 -7.179 -3.907 4.659 1.00 0.37 C ATOM 785 CD GLU A 53 -7.245 -5.397 4.790 1.00 0.58 C ATOM 786 OE1 GLU A 53 -6.656 -5.940 5.718 1.00 0.91 O ATOM 787 OE2 GLU A 53 -7.835 -6.062 3.911 1.00 0.71 O ATOM 0 H GLU A 53 -6.012 -1.735 5.536 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.655 -1.487 4.768 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.501 -3.509 6.704 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.965 -3.692 5.758 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.570 -3.602 3.688 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.141 -3.576 4.702 1.00 0.37 H new ATOM 794 N SER A 54 -8.094 -1.397 8.053 1.00 0.37 N ATOM 795 CA SER A 54 -8.601 -1.014 9.370 1.00 0.44 C ATOM 796 C SER A 54 -9.126 0.430 9.381 1.00 0.43 C ATOM 797 O SER A 54 -10.175 0.713 9.960 1.00 0.52 O ATOM 798 CB SER A 54 -7.485 -1.196 10.430 1.00 0.54 C ATOM 799 OG SER A 54 -7.869 -0.703 11.718 1.00 1.44 O ATOM 0 H SER A 54 -7.134 -1.742 8.074 1.00 0.37 H new ATOM 0 HA SER A 54 -9.442 -1.664 9.613 1.00 0.44 H new ATOM 0 HB2 SER A 54 -7.232 -2.253 10.509 1.00 0.54 H new ATOM 0 HB3 SER A 54 -6.585 -0.677 10.099 1.00 0.54 H new ATOM 0 HG SER A 54 -7.135 -0.841 12.353 1.00 1.44 H new ATOM 805 N ARG A 55 -8.405 1.320 8.730 1.00 0.44 N ATOM 806 CA ARG A 55 -8.733 2.710 8.704 1.00 0.50 C ATOM 807 C ARG A 55 -9.974 3.003 7.869 1.00 0.50 C ATOM 808 O ARG A 55 -10.772 3.872 8.220 1.00 0.62 O ATOM 809 CB ARG A 55 -7.553 3.473 8.156 1.00 0.59 C ATOM 810 CG ARG A 55 -6.316 3.422 9.030 1.00 0.97 C ATOM 811 CD ARG A 55 -5.136 4.084 8.350 1.00 1.13 C ATOM 812 NE ARG A 55 -5.329 5.523 8.155 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.089 6.182 7.019 1.00 1.64 C ATOM 814 NH1 ARG A 55 -4.877 5.523 5.901 1.00 1.93 N ATOM 815 NH2 ARG A 55 -5.084 7.494 7.006 1.00 2.25 N ATOM 0 H ARG A 55 -7.566 1.084 8.201 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.959 3.024 9.723 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -7.304 3.076 7.172 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -7.842 4.515 8.016 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -6.518 3.919 9.979 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -6.072 2.385 9.259 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -4.239 3.920 8.947 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -4.967 3.610 7.383 1.00 1.13 H new ATOM 0 HE ARG A 55 -5.673 6.063 8.949 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -4.895 4.503 5.899 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -4.694 6.032 5.036 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -5.264 8.013 7.865 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -4.900 7.995 6.137 1.00 2.25 H new ATOM 829 N TYR A 56 -10.125 2.314 6.769 1.00 0.42 N ATOM 830 CA TYR A 56 -11.233 2.585 5.870 1.00 0.44 C ATOM 831 C TYR A 56 -12.419 1.638 6.029 1.00 0.43 C ATOM 832 O TYR A 56 -13.516 1.944 5.565 1.00 0.52 O ATOM 833 CB TYR A 56 -10.746 2.664 4.435 1.00 0.44 C ATOM 834 CG TYR A 56 -9.832 3.840 4.215 1.00 0.49 C ATOM 835 CD1 TYR A 56 -10.348 5.093 3.933 1.00 0.62 C ATOM 836 CD2 TYR A 56 -8.461 3.708 4.339 1.00 0.48 C ATOM 837 CE1 TYR A 56 -9.521 6.179 3.774 1.00 0.71 C ATOM 838 CE2 TYR A 56 -7.629 4.780 4.196 1.00 0.55 C ATOM 839 CZ TYR A 56 -8.163 6.021 3.913 1.00 0.69 C ATOM 840 OH TYR A 56 -7.342 7.109 3.789 1.00 0.77 O ATOM 0 H TYR A 56 -9.503 1.564 6.468 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.629 3.559 6.157 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.221 1.744 4.179 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.602 2.740 3.765 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -11.416 5.219 3.836 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -8.040 2.737 4.553 1.00 0.48 H new ATOM 0 HE1 TYR A 56 -9.935 7.149 3.542 1.00 0.71 H new ATOM 0 HE2 TYR A 56 -6.561 4.658 4.303 1.00 0.55 H new ATOM 0 HH TYR A 56 -6.411 6.810 3.724 1.00 0.77 H new ATOM 850 N GLY A 57 -12.201 0.516 6.672 1.00 0.38 N ATOM 851 CA GLY A 57 -13.272 -0.425 6.924 1.00 0.41 C ATOM 852 C GLY A 57 -13.473 -1.397 5.786 1.00 0.39 C ATOM 853 O GLY A 57 -14.609 -1.704 5.416 1.00 0.51 O ATOM 0 H GLY A 57 -11.291 0.230 7.032 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.055 -0.980 7.837 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.198 0.123 7.097 1.00 0.41 H new ATOM 857 N VAL A 58 -12.383 -1.895 5.231 1.00 0.34 N ATOM 858 CA VAL A 58 -12.462 -2.826 4.107 1.00 0.36 C ATOM 859 C VAL A 58 -11.786 -4.157 4.428 1.00 0.39 C ATOM 860 O VAL A 58 -11.197 -4.326 5.503 1.00 0.42 O ATOM 861 CB VAL A 58 -11.887 -2.249 2.769 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.618 -0.992 2.367 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.398 -1.963 2.879 1.00 0.34 C ATOM 0 H VAL A 58 -11.434 -1.675 5.534 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.528 -2.991 3.953 1.00 0.36 H new ATOM 0 HB VAL A 58 -12.036 -3.008 2.001 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.201 -0.611 1.435 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.676 -1.215 2.226 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.507 -0.241 3.149 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -10.033 -1.564 1.933 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.225 -1.234 3.671 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.867 -2.886 3.113 1.00 0.34 H new ATOM 873 N SER A 59 -11.878 -5.096 3.515 1.00 0.43 N ATOM 874 CA SER A 59 -11.235 -6.381 3.637 1.00 0.49 C ATOM 875 C SER A 59 -10.775 -6.846 2.260 1.00 0.45 C ATOM 876 O SER A 59 -11.598 -7.126 1.374 1.00 0.56 O ATOM 877 CB SER A 59 -12.192 -7.385 4.271 1.00 0.67 C ATOM 878 OG SER A 59 -12.569 -6.941 5.567 1.00 1.48 O ATOM 0 H SER A 59 -12.411 -4.985 2.653 1.00 0.43 H new ATOM 0 HA SER A 59 -10.362 -6.299 4.284 1.00 0.49 H new ATOM 0 HB2 SER A 59 -13.077 -7.502 3.645 1.00 0.67 H new ATOM 0 HB3 SER A 59 -11.716 -8.363 4.336 1.00 0.67 H new ATOM 0 HG SER A 59 -13.185 -7.589 5.968 1.00 1.48 H new ATOM 884 N ILE A 60 -9.491 -6.856 2.068 1.00 0.39 N ATOM 885 CA ILE A 60 -8.881 -7.206 0.811 1.00 0.43 C ATOM 886 C ILE A 60 -8.260 -8.607 0.887 1.00 0.35 C ATOM 887 O ILE A 60 -7.647 -8.970 1.910 1.00 0.42 O ATOM 888 CB ILE A 60 -7.780 -6.159 0.449 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.399 -4.754 0.355 1.00 0.75 C ATOM 890 CG2 ILE A 60 -7.064 -6.523 -0.853 1.00 0.71 C ATOM 891 CD1 ILE A 60 -7.399 -3.651 0.102 1.00 1.01 C ATOM 0 H ILE A 60 -8.818 -6.616 2.796 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.649 -7.206 0.038 1.00 0.43 H new ATOM 0 HB ILE A 60 -7.034 -6.165 1.243 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -9.139 -4.748 -0.445 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -8.931 -4.541 1.282 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -6.305 -5.772 -1.073 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.589 -7.499 -0.747 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.787 -6.558 -1.668 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -7.918 -2.694 0.050 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -6.672 -3.626 0.914 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -6.884 -3.836 -0.841 1.00 1.01 H new ATOM 903 N PRO A 61 -8.478 -9.436 -0.161 1.00 0.43 N ATOM 904 CA PRO A 61 -7.851 -10.766 -0.298 1.00 0.50 C ATOM 905 C PRO A 61 -6.320 -10.692 -0.154 1.00 0.46 C ATOM 906 O PRO A 61 -5.663 -9.823 -0.759 1.00 0.40 O ATOM 907 CB PRO A 61 -8.225 -11.164 -1.725 1.00 0.63 C ATOM 908 CG PRO A 61 -9.514 -10.480 -1.972 1.00 0.74 C ATOM 909 CD PRO A 61 -9.402 -9.158 -1.287 1.00 0.63 C ATOM 0 HA PRO A 61 -8.183 -11.469 0.466 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -7.464 -10.847 -2.438 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -8.324 -12.245 -1.823 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.693 -10.355 -3.040 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -10.348 -11.059 -1.574 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -9.006 -8.392 -1.953 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -10.371 -8.804 -0.935 1.00 0.63 H new ATOM 917 N ASP A 62 -5.760 -11.633 0.595 1.00 0.61 N ATOM 918 CA ASP A 62 -4.328 -11.624 0.947 1.00 0.72 C ATOM 919 C ASP A 62 -3.470 -11.849 -0.274 1.00 0.66 C ATOM 920 O ASP A 62 -2.410 -11.243 -0.425 1.00 0.67 O ATOM 921 CB ASP A 62 -3.976 -12.717 1.967 1.00 1.04 C ATOM 922 CG ASP A 62 -4.863 -12.763 3.187 1.00 1.22 C ATOM 923 OD1 ASP A 62 -4.952 -11.727 3.898 1.00 1.73 O ATOM 924 OD2 ASP A 62 -5.439 -13.807 3.502 1.00 1.74 O ATOM 0 H ASP A 62 -6.275 -12.425 0.979 1.00 0.61 H new ATOM 0 HA ASP A 62 -4.132 -10.644 1.381 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -4.020 -13.685 1.468 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -2.946 -12.572 2.291 1.00 1.04 H new ATOM 929 N ASP A 63 -3.953 -12.693 -1.178 1.00 0.68 N ATOM 930 CA ASP A 63 -3.189 -13.053 -2.378 1.00 0.73 C ATOM 931 C ASP A 63 -3.074 -11.883 -3.291 1.00 0.63 C ATOM 932 O ASP A 63 -2.128 -11.764 -4.033 1.00 0.78 O ATOM 933 CB ASP A 63 -3.809 -14.228 -3.150 1.00 0.92 C ATOM 934 CG ASP A 63 -3.879 -15.495 -2.351 1.00 1.41 C ATOM 935 OD1 ASP A 63 -2.807 -16.060 -2.029 1.00 1.81 O ATOM 936 OD2 ASP A 63 -4.998 -15.952 -2.029 1.00 2.17 O ATOM 0 H ASP A 63 -4.866 -13.142 -1.108 1.00 0.68 H new ATOM 0 HA ASP A 63 -2.203 -13.363 -2.031 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -4.814 -13.953 -3.470 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -3.225 -14.408 -4.053 1.00 0.92 H new ATOM 941 N VAL A 64 -4.046 -11.009 -3.216 1.00 0.48 N ATOM 942 CA VAL A 64 -4.067 -9.827 -4.030 1.00 0.44 C ATOM 943 C VAL A 64 -3.121 -8.780 -3.426 1.00 0.38 C ATOM 944 O VAL A 64 -2.389 -8.094 -4.150 1.00 0.41 O ATOM 945 CB VAL A 64 -5.509 -9.272 -4.162 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.537 -8.050 -5.051 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.435 -10.341 -4.722 1.00 0.58 C ATOM 0 H VAL A 64 -4.844 -11.100 -2.587 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.724 -10.075 -5.034 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.854 -8.985 -3.169 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.559 -7.679 -5.128 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.901 -7.275 -4.624 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.171 -8.314 -6.043 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.444 -9.939 -4.810 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -6.081 -10.650 -5.705 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.444 -11.201 -4.053 1.00 0.58 H new ATOM 957 N ALA A 65 -3.108 -8.702 -2.090 1.00 0.36 N ATOM 958 CA ALA A 65 -2.230 -7.781 -1.369 1.00 0.36 C ATOM 959 C ALA A 65 -0.771 -8.131 -1.625 1.00 0.38 C ATOM 960 O ALA A 65 0.067 -7.261 -1.774 1.00 0.46 O ATOM 961 CB ALA A 65 -2.516 -7.820 0.120 1.00 0.42 C ATOM 0 H ALA A 65 -3.701 -9.271 -1.486 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.423 -6.772 -1.734 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.851 -7.127 0.636 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.552 -7.531 0.299 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.351 -8.830 0.496 1.00 0.42 H new ATOM 967 N GLY A 66 -0.490 -9.412 -1.705 1.00 0.39 N ATOM 968 CA GLY A 66 0.848 -9.855 -1.996 1.00 0.46 C ATOM 969 C GLY A 66 1.043 -10.150 -3.460 1.00 0.48 C ATOM 970 O GLY A 66 1.844 -11.016 -3.827 1.00 0.77 O ATOM 0 H GLY A 66 -1.170 -10.161 -1.573 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.558 -9.090 -1.683 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.067 -10.750 -1.414 1.00 0.46 H new ATOM 974 N ARG A 67 0.301 -9.459 -4.298 1.00 0.36 N ATOM 975 CA ARG A 67 0.417 -9.632 -5.732 1.00 0.41 C ATOM 976 C ARG A 67 0.732 -8.302 -6.404 1.00 0.37 C ATOM 977 O ARG A 67 1.314 -8.268 -7.492 1.00 0.47 O ATOM 978 CB ARG A 67 -0.878 -10.192 -6.290 1.00 0.55 C ATOM 979 CG ARG A 67 -0.826 -10.525 -7.755 1.00 1.14 C ATOM 980 CD ARG A 67 -2.175 -10.977 -8.253 1.00 1.95 C ATOM 981 NE ARG A 67 -3.195 -9.930 -8.086 1.00 2.92 N ATOM 982 CZ ARG A 67 -4.478 -10.037 -8.459 1.00 4.03 C ATOM 983 NH1 ARG A 67 -4.960 -11.198 -8.902 1.00 4.35 N ATOM 984 NH2 ARG A 67 -5.277 -8.983 -8.364 1.00 5.04 N ATOM 0 H ARG A 67 -0.393 -8.769 -4.010 1.00 0.36 H new ATOM 0 HA ARG A 67 1.230 -10.329 -5.934 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -1.141 -11.092 -5.734 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.676 -9.469 -6.122 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.500 -9.651 -8.319 1.00 1.14 H new ATOM 0 HG3 ARG A 67 -0.089 -11.309 -7.928 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -2.102 -11.249 -9.306 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.481 -11.873 -7.713 1.00 1.95 H new ATOM 0 HE ARG A 67 -2.903 -9.054 -7.652 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -4.351 -12.014 -8.959 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -5.938 -11.270 -9.184 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -4.914 -8.098 -8.009 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -6.254 -9.057 -8.646 1.00 5.04 H new ATOM 998 N VAL A 68 0.326 -7.217 -5.752 1.00 0.37 N ATOM 999 CA VAL A 68 0.542 -5.864 -6.258 1.00 0.38 C ATOM 1000 C VAL A 68 2.039 -5.569 -6.417 1.00 0.42 C ATOM 1001 O VAL A 68 2.791 -5.453 -5.447 1.00 0.75 O ATOM 1002 CB VAL A 68 -0.153 -4.802 -5.355 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.662 -4.954 -5.440 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.288 -4.920 -3.906 1.00 0.43 C ATOM 0 H VAL A 68 -0.162 -7.250 -4.857 1.00 0.37 H new ATOM 0 HA VAL A 68 0.084 -5.801 -7.245 1.00 0.38 H new ATOM 0 HB VAL A 68 0.141 -3.818 -5.719 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -2.139 -4.207 -4.805 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.984 -4.813 -6.472 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.947 -5.951 -5.104 1.00 0.42 H new ATOM 0 HG21 VAL A 68 -0.219 -4.162 -3.309 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.034 -5.910 -3.528 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.366 -4.772 -3.841 1.00 0.43 H new ATOM 1014 N ASP A 69 2.468 -5.536 -7.644 1.00 0.35 N ATOM 1015 CA ASP A 69 3.866 -5.350 -7.966 1.00 0.42 C ATOM 1016 C ASP A 69 4.298 -3.904 -7.762 1.00 0.33 C ATOM 1017 O ASP A 69 5.427 -3.627 -7.341 1.00 0.34 O ATOM 1018 CB ASP A 69 4.138 -5.815 -9.394 1.00 0.62 C ATOM 1019 CG ASP A 69 5.588 -5.738 -9.779 1.00 1.22 C ATOM 1020 OD1 ASP A 69 6.373 -6.665 -9.427 1.00 1.32 O ATOM 1021 OD2 ASP A 69 5.975 -4.798 -10.467 1.00 2.03 O ATOM 0 H ASP A 69 1.862 -5.637 -8.458 1.00 0.35 H new ATOM 0 HA ASP A 69 4.460 -5.958 -7.284 1.00 0.42 H new ATOM 0 HB2 ASP A 69 3.794 -6.843 -9.505 1.00 0.62 H new ATOM 0 HB3 ASP A 69 3.553 -5.207 -10.084 1.00 0.62 H new ATOM 1026 N THR A 70 3.404 -2.992 -8.015 1.00 0.30 N ATOM 1027 CA THR A 70 3.708 -1.596 -7.880 1.00 0.28 C ATOM 1028 C THR A 70 2.881 -0.975 -6.759 1.00 0.26 C ATOM 1029 O THR A 70 1.772 -1.460 -6.449 1.00 0.27 O ATOM 1030 CB THR A 70 3.379 -0.854 -9.186 1.00 0.34 C ATOM 1031 OG1 THR A 70 1.992 -1.042 -9.496 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.226 -1.370 -10.333 1.00 0.35 C ATOM 0 H THR A 70 2.451 -3.192 -8.318 1.00 0.30 H new ATOM 0 HA THR A 70 4.770 -1.505 -7.651 1.00 0.28 H new ATOM 0 HB THR A 70 3.596 0.205 -9.049 1.00 0.34 H new ATOM 0 HG1 THR A 70 1.814 -0.724 -10.406 1.00 0.44 H new ATOM 0 HG21 THR A 70 3.973 -0.828 -11.244 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.281 -1.220 -10.103 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.034 -2.433 -10.478 1.00 0.35 H new ATOM 1040 N PRO A 71 3.409 0.082 -6.090 1.00 0.26 N ATOM 1041 CA PRO A 71 2.631 0.877 -5.137 1.00 0.26 C ATOM 1042 C PRO A 71 1.412 1.459 -5.834 1.00 0.24 C ATOM 1043 O PRO A 71 0.374 1.674 -5.213 1.00 0.25 O ATOM 1044 CB PRO A 71 3.601 1.980 -4.716 1.00 0.30 C ATOM 1045 CG PRO A 71 4.939 1.366 -4.908 1.00 0.32 C ATOM 1046 CD PRO A 71 4.811 0.525 -6.142 1.00 0.29 C ATOM 0 HA PRO A 71 2.260 0.304 -4.287 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.480 2.874 -5.327 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.443 2.278 -3.680 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.709 2.128 -5.029 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.222 0.761 -4.047 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.021 1.098 -7.045 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.502 -0.318 -6.131 1.00 0.29 H new ATOM 1054 N ARG A 72 1.564 1.703 -7.142 1.00 0.24 N ATOM 1055 CA ARG A 72 0.451 2.095 -8.010 1.00 0.27 C ATOM 1056 C ARG A 72 -0.703 1.093 -7.891 1.00 0.23 C ATOM 1057 O ARG A 72 -1.823 1.469 -7.549 1.00 0.27 O ATOM 1058 CB ARG A 72 0.923 2.176 -9.459 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.178 2.356 -10.484 1.00 0.53 C ATOM 1060 CD ARG A 72 0.392 2.534 -11.873 1.00 0.72 C ATOM 1061 NE ARG A 72 1.091 3.812 -11.998 1.00 0.79 N ATOM 1062 CZ ARG A 72 2.225 4.021 -12.667 1.00 1.57 C ATOM 1063 NH1 ARG A 72 2.908 3.012 -13.214 1.00 2.55 N ATOM 1064 NH2 ARG A 72 2.702 5.242 -12.768 1.00 1.67 N ATOM 0 H ARG A 72 2.460 1.634 -7.625 1.00 0.24 H new ATOM 0 HA ARG A 72 0.094 3.075 -7.695 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.623 3.006 -9.551 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.474 1.266 -9.697 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -0.839 1.489 -10.468 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -0.784 3.224 -10.223 1.00 0.53 H new ATOM 0 HD2 ARG A 72 1.079 1.717 -12.094 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -0.411 2.482 -12.608 1.00 0.72 H new ATOM 0 HE ARG A 72 0.673 4.617 -11.531 1.00 0.79 H new ATOM 0 HH11 ARG A 72 2.564 2.056 -13.125 1.00 2.55 H new ATOM 0 HH12 ARG A 72 3.773 3.198 -13.721 1.00 2.55 H new ATOM 0 HH21 ARG A 72 2.205 6.021 -12.336 1.00 1.67 H new ATOM 0 HH22 ARG A 72 3.569 5.410 -13.278 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.409 -0.179 -8.142 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.404 -1.234 -8.055 1.00 0.24 C ATOM 1080 C GLU A 73 -1.948 -1.404 -6.653 1.00 0.21 C ATOM 1081 O GLU A 73 -3.117 -1.718 -6.490 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.861 -2.556 -8.576 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.696 -2.602 -10.081 1.00 0.44 C ATOM 1084 CD GLU A 73 -2.008 -2.450 -10.798 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -2.861 -3.354 -10.720 1.00 1.49 O ATOM 1086 OE2 GLU A 73 -2.209 -1.416 -11.475 1.00 2.08 O ATOM 0 H GLU A 73 0.521 -0.503 -8.410 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.233 -0.924 -8.691 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.104 -2.750 -8.109 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.531 -3.359 -8.269 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -0.017 -1.809 -10.395 1.00 0.44 H new ATOM 0 HG3 GLU A 73 -0.235 -3.548 -10.366 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.111 -1.198 -5.649 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.552 -1.296 -4.259 1.00 0.21 C ATOM 1095 C LEU A 74 -2.555 -0.174 -3.965 1.00 0.19 C ATOM 1096 O LEU A 74 -3.612 -0.408 -3.363 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.322 -1.267 -3.296 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.540 -1.549 -1.770 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.206 -0.394 -1.046 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.342 -2.826 -1.554 1.00 0.88 C ATOM 0 H LEU A 74 -0.125 -0.963 -5.765 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.058 -2.247 -4.093 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.401 -1.995 -3.664 1.00 0.25 H new ATOM 0 HB3 LEU A 74 0.142 -0.285 -3.385 1.00 0.25 H new ATOM 0 HG LEU A 74 0.455 -1.673 -1.343 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.331 -0.648 0.007 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.584 0.497 -1.133 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.182 -0.200 -1.490 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.477 -2.995 -0.486 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.317 -2.729 -2.032 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.807 -3.670 -1.990 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.240 1.031 -4.420 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.116 2.170 -4.224 1.00 0.21 C ATOM 1114 C LEU A 75 -4.411 1.956 -4.991 1.00 0.20 C ATOM 1115 O LEU A 75 -5.508 2.148 -4.445 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.435 3.470 -4.670 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.219 4.754 -4.402 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.493 4.902 -2.915 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.461 5.962 -4.924 1.00 0.37 C ATOM 0 H LEU A 75 -1.381 1.242 -4.928 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.340 2.260 -3.161 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.470 3.544 -4.168 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.234 3.405 -5.739 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.172 4.694 -4.928 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.052 5.821 -2.738 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.076 4.050 -2.566 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.548 4.942 -2.373 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.035 6.866 -4.724 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.494 6.028 -4.425 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.309 5.859 -5.998 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.272 1.516 -6.241 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.409 1.203 -7.113 1.00 0.25 C ATOM 1133 C ASP A 76 -6.296 0.155 -6.466 1.00 0.23 C ATOM 1134 O ASP A 76 -7.523 0.266 -6.485 1.00 0.25 O ATOM 1135 CB ASP A 76 -4.924 0.697 -8.483 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.065 0.297 -9.402 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.720 1.191 -10.005 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -6.319 -0.912 -9.558 1.00 1.07 O ATOM 0 H ASP A 76 -3.364 1.365 -6.681 1.00 0.21 H new ATOM 0 HA ASP A 76 -5.983 2.118 -7.261 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.333 1.476 -8.964 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.265 -0.159 -8.336 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.662 -0.847 -5.879 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.344 -1.917 -5.178 1.00 0.23 C ATOM 1145 C LEU A 77 -7.212 -1.369 -4.075 1.00 0.26 C ATOM 1146 O LEU A 77 -8.414 -1.594 -4.066 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.334 -2.915 -4.599 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.902 -4.039 -3.733 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.904 -4.877 -4.515 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.772 -4.903 -3.194 1.00 0.32 C ATOM 0 H LEU A 77 -4.646 -0.939 -5.877 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.979 -2.435 -5.897 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.788 -3.366 -5.427 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.609 -2.360 -4.004 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.432 -3.594 -2.890 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.293 -5.670 -3.876 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.726 -4.244 -4.849 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.411 -5.319 -5.381 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.186 -5.701 -2.578 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.217 -5.337 -4.026 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.101 -4.291 -2.591 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.619 -0.610 -3.175 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.368 -0.098 -2.055 1.00 0.29 C ATOM 1164 C ILE A 78 -8.413 0.924 -2.505 1.00 0.29 C ATOM 1165 O ILE A 78 -9.513 0.926 -1.998 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.463 0.431 -0.910 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.512 -0.701 -0.491 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.312 0.895 0.290 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.653 -0.399 0.701 1.00 0.34 C ATOM 0 H ILE A 78 -5.636 -0.340 -3.199 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.909 -0.941 -1.625 1.00 0.29 H new ATOM 0 HB ILE A 78 -5.892 1.292 -1.258 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.103 -1.592 -0.278 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -4.865 -0.942 -1.334 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.656 1.261 1.080 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -7.982 1.695 -0.026 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -7.899 0.057 0.666 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.017 -1.257 0.918 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.030 0.470 0.489 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.287 -0.189 1.563 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.088 1.736 -3.513 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.075 2.684 -4.074 1.00 0.32 C ATOM 1183 C ASN A 79 -10.263 1.922 -4.646 1.00 0.31 C ATOM 1184 O ASN A 79 -11.419 2.280 -4.422 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.470 3.603 -5.163 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.675 4.802 -4.634 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.024 4.667 -3.504 1.00 1.53 O flip ATOM 1188 ND2 ASN A 79 -7.639 5.847 -5.267 1.00 0.89 N flip ATOM 0 H ASN A 79 -7.170 1.764 -3.956 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.400 3.325 -3.255 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.817 3.005 -5.799 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.278 3.973 -5.794 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -8.153 5.930 -6.144 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -7.095 6.636 -4.918 1.00 0.89 H new ATOM 1195 N GLY A 80 -9.964 0.836 -5.330 1.00 0.32 N ATOM 1196 CA GLY A 80 -10.992 -0.006 -5.901 1.00 0.39 C ATOM 1197 C GLY A 80 -11.815 -0.688 -4.827 1.00 0.42 C ATOM 1198 O GLY A 80 -13.036 -0.797 -4.946 1.00 0.47 O ATOM 0 H GLY A 80 -9.011 0.516 -5.504 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.645 0.595 -6.534 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.532 -0.759 -6.541 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.142 -1.142 -3.781 1.00 0.44 N ATOM 1203 CA ALA A 81 -11.788 -1.778 -2.641 1.00 0.51 C ATOM 1204 C ALA A 81 -12.708 -0.795 -1.931 1.00 0.52 C ATOM 1205 O ALA A 81 -13.788 -1.159 -1.476 1.00 0.65 O ATOM 1206 CB ALA A 81 -10.744 -2.317 -1.675 1.00 0.56 C ATOM 0 H ALA A 81 -10.127 -1.080 -3.698 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.389 -2.611 -3.006 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -11.242 -2.789 -0.828 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -10.121 -3.051 -2.185 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.121 -1.497 -1.318 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.276 0.456 -1.854 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.059 1.524 -1.242 1.00 0.54 C ATOM 1214 C LEU A 82 -14.304 1.806 -2.047 1.00 0.62 C ATOM 1215 O LEU A 82 -15.366 2.055 -1.492 1.00 0.84 O ATOM 1216 CB LEU A 82 -12.230 2.798 -1.110 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.017 2.690 -0.208 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -10.226 3.973 -0.209 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.440 2.320 1.185 1.00 1.03 C ATOM 0 H LEU A 82 -11.372 0.761 -2.214 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.352 1.191 -0.246 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.898 3.101 -2.103 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.873 3.593 -0.733 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.369 1.903 -0.594 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.361 3.868 0.446 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.889 4.192 -1.222 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.855 4.788 0.148 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.561 2.245 1.825 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.110 3.085 1.577 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -11.957 1.361 1.165 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.170 1.740 -3.357 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.284 1.959 -4.264 1.00 0.66 C ATOM 1233 C ALA A 83 -16.312 0.828 -4.140 1.00 0.86 C ATOM 1234 O ALA A 83 -17.503 1.013 -4.379 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.772 2.067 -5.681 1.00 0.64 C ATOM 0 H ALA A 83 -13.287 1.533 -3.824 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.781 2.892 -3.998 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.610 2.231 -6.359 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -14.077 2.903 -5.754 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.260 1.144 -5.954 1.00 0.64 H new ATOM 1241 N GLU A 84 -15.833 -0.331 -3.746 1.00 0.92 N ATOM 1242 CA GLU A 84 -16.676 -1.490 -3.519 1.00 1.18 C ATOM 1243 C GLU A 84 -17.177 -1.546 -2.087 1.00 1.28 C ATOM 1244 O GLU A 84 -17.982 -2.412 -1.734 1.00 1.63 O ATOM 1245 CB GLU A 84 -15.917 -2.762 -3.858 1.00 1.30 C ATOM 1246 CG GLU A 84 -15.823 -3.046 -5.333 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.178 -3.343 -5.919 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -17.749 -4.415 -5.599 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -17.700 -2.525 -6.713 1.00 2.66 O ATOM 0 H GLU A 84 -14.842 -0.500 -3.572 1.00 0.92 H new ATOM 0 HA GLU A 84 -17.545 -1.403 -4.172 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -14.910 -2.692 -3.447 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -16.404 -3.605 -3.367 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -15.383 -2.189 -5.843 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -15.158 -3.893 -5.501 1.00 1.61 H new ATOM 1256 N ALA A 85 -16.712 -0.643 -1.275 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.104 -0.599 0.105 1.00 1.33 C ATOM 1258 C ALA A 85 -18.320 0.274 0.251 1.00 1.71 C ATOM 1259 O ALA A 85 -18.442 1.297 -0.427 1.00 2.30 O ATOM 1260 CB ALA A 85 -15.968 -0.084 0.978 1.00 1.30 C ATOM 0 H ALA A 85 -16.051 0.084 -1.549 1.00 1.13 H new ATOM 0 HA ALA A 85 -17.344 -1.609 0.436 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.291 -0.060 2.019 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.106 -0.744 0.880 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.693 0.922 0.661 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.205 -0.117 1.109 1.00 2.12 N ATOM 1267 CA ALA A 86 -20.409 0.622 1.337 1.00 2.78 C ATOM 1268 C ALA A 86 -20.282 1.346 2.650 1.00 3.16 C ATOM 1269 O ALA A 86 -20.537 0.732 3.703 1.00 3.59 O ATOM 1270 CB ALA A 86 -21.608 -0.305 1.335 1.00 3.57 C ATOM 1271 OXT ALA A 86 -19.852 2.511 2.659 1.00 3.56 O ATOM 0 H ALA A 86 -19.115 -0.961 1.675 1.00 2.12 H new ATOM 0 HA ALA A 86 -20.560 1.348 0.538 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -22.515 0.273 1.510 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.678 -0.807 0.370 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -21.494 -1.049 2.124 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 6.301 -11.963 -0.114 1.00 0.90 P HETATM 1279 O26 SXD A 87 6.775 -11.158 1.128 1.00 1.54 O HETATM 1280 O23 SXD A 87 7.376 -12.808 -0.830 1.00 1.52 O HETATM 1281 O27 SXD A 87 5.179 -12.976 0.326 1.00 1.03 O HETATM 1282 C28 SXD A 87 3.976 -12.484 1.011 1.00 0.94 C HETATM 1283 C29 SXD A 87 3.039 -13.597 1.496 1.00 1.31 C HETATM 1284 C30 SXD A 87 1.761 -12.881 1.909 1.00 1.48 C HETATM 1285 C31 SXD A 87 2.733 -14.566 0.350 1.00 1.80 C HETATM 1286 C32 SXD A 87 3.723 -14.397 2.725 1.00 2.11 C HETATM 1287 O33 SXD A 87 4.966 -14.987 2.327 1.00 2.59 O HETATM 1288 C34 SXD A 87 2.852 -15.549 3.285 1.00 2.68 C HETATM 1289 O35 SXD A 87 3.330 -16.678 3.363 1.00 3.26 O HETATM 1290 N36 SXD A 87 1.623 -15.278 3.661 1.00 2.90 N HETATM 1291 C37 SXD A 87 0.688 -16.260 4.205 1.00 3.68 C HETATM 1292 C38 SXD A 87 -0.770 -15.855 3.981 1.00 4.14 C HETATM 1293 C39 SXD A 87 -1.268 -14.680 4.841 1.00 4.26 C HETATM 1294 O40 SXD A 87 -2.299 -14.090 4.563 1.00 4.93 O HETATM 1295 N41 SXD A 87 -0.523 -14.358 5.883 1.00 4.07 N HETATM 1296 C42 SXD A 87 -0.829 -13.278 6.812 1.00 4.66 C HETATM 1297 C43 SXD A 87 -0.172 -13.563 8.125 1.00 4.86 C HETATM 1298 S1 SXD A 87 1.491 -14.198 7.856 1.00 5.53 S HETATM 1299 C1 SXD A 87 1.979 -14.561 9.557 1.00 6.36 C HETATM 1300 C2 SXD A 87 3.361 -15.176 9.667 1.00 6.96 C HETATM 1301 C3 SXD A 87 4.468 -14.244 9.223 1.00 7.66 C HETATM 1302 O3 SXD A 87 5.163 -14.507 8.224 1.00 8.05 O HETATM 1303 C4 SXD A 87 4.713 -12.991 10.046 1.00 8.24 C HETATM 1304 C5 SXD A 87 6.029 -12.971 10.809 1.00 8.87 C HETATM 1305 O5 SXD A 87 6.046 -13.000 12.059 1.00 9.15 O HETATM 1306 C6 SXD A 87 7.321 -12.895 10.018 1.00 9.45 C HETATM 0 HO33 SXD A 87 5.351 -14.471 1.588 1.00 2.59 H new HETATM 0 HN41 SXD A 87 0.324 -14.902 6.049 1.00 4.07 H new HETATM 0 HN36 SXD A 87 1.299 -14.315 3.567 1.00 2.90 H new HETATM 0 H43A SXD A 87 -0.130 -12.654 8.725 1.00 4.86 H new HETATM 0 H42A SXD A 87 -0.476 -12.327 6.413 1.00 4.66 H new HETATM 0 H38A SXD A 87 -0.900 -15.595 2.930 1.00 4.14 H new HETATM 0 H37A SXD A 87 0.870 -17.229 3.740 1.00 3.68 H new HETATM 0 H31B SXD A 87 2.253 -14.025 -0.465 1.00 1.80 H new HETATM 0 H31A SXD A 87 3.661 -15.012 -0.007 1.00 1.80 H new HETATM 0 H30B SXD A 87 1.984 -12.168 2.703 1.00 1.48 H new HETATM 0 H30A SXD A 87 1.347 -12.351 1.051 1.00 1.48 H new HETATM 0 H28A SXD A 87 4.278 -11.879 1.866 1.00 0.94 H new HETATM 0 H6B SXD A 87 7.395 -13.759 9.358 1.00 9.45 H new HETATM 0 H6A SXD A 87 7.330 -11.982 9.423 1.00 9.45 H new HETATM 0 H6 SXD A 87 8.168 -12.889 10.704 1.00 9.45 H new HETATM 0 H4A SXD A 87 4.682 -12.127 9.383 1.00 8.24 H new HETATM 0 H43 SXD A 87 -0.761 -14.289 8.686 1.00 4.86 H new HETATM 0 H42 SXD A 87 -1.907 -13.188 6.942 1.00 4.66 H new HETATM 0 H4 SXD A 87 3.896 -12.876 10.758 1.00 8.24 H new HETATM 0 H38 SXD A 87 -1.404 -16.720 4.176 1.00 4.14 H new HETATM 0 H37 SXD A 87 0.870 -16.380 5.273 1.00 3.68 H new HETATM 0 H32 SXD A 87 3.857 -13.641 3.498 1.00 2.11 H new HETATM 0 H31 SXD A 87 2.067 -15.352 0.706 1.00 1.80 H new HETATM 0 H30 SXD A 87 1.036 -13.610 2.270 1.00 1.48 H new HETATM 0 H2A SXD A 87 3.538 -15.473 10.701 1.00 6.96 H new HETATM 0 H28 SXD A 87 3.427 -11.829 0.335 1.00 0.94 H new HETATM 0 H2 SXD A 87 3.396 -16.084 9.065 1.00 6.96 H new HETATM 0 H1A SXD A 87 1.951 -13.640 10.140 1.00 6.36 H new HETATM 0 H1 SXD A 87 1.250 -15.240 9.999 1.00 6.36 H new